Abstract
Using total self-consistent-field (SCF) energy differences of small atomic clusters, simulating the metal environment, the ΔSCF 1s binding energy is calculated. This ΔSCF value, enhanced by atomic correlation and relativistic corrections, provides good values for the K-shell binding energy of Mg and Ca.
- Received 6 October 1987
DOI:https://doi.org/10.1103/PhysRevB.37.4764
©1988 American Physical Society
